2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol

C13H21NO — CID 578823

IUPAC2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol
SMILESCC(O)(C#CCN1CCCCC1)C1CC1
InChIInChI=1S/C13H21NO/c1-13(15,12-6-7-12)8-5-11-14-9-3-2-4-10-14/h12,15H,2-4,6-7,9-11H2,1H3
InChIKeyZNWJLKMETLCBEK-UHFFFAOYSA-N
MW207.32 g/mol
LogP1.64
Rot. Bonds2

About 2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol

2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol (PubChem CID 578823) has the molecular formula C13H21NO and a molecular weight of 207.32 g/mol. Its IUPAC name is 2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol.

Molecular Properties

Compound Name2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol
PubChem CID578823
Molecular FormulaC13H21NO
Molecular Weight207.32 g/mol
Exact Mass207.16
IUPAC Name2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol
SMILESCC(O)(C#CCN1CCCCC1)C1CC1
InChIInChI=1S/C13H21NO/c1-13(15,12-6-7-12)8-5-11-14-9-3-2-4-10-14/h12,15H,2-4,6-7,9-11H2,1H3
InChIKeyZNWJLKMETLCBEK-UHFFFAOYSA-N
XLogP1.64
TPSA23.47 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.32
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol?
The IUPAC name of 2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol (CID 578823) is 2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol.
What is the SMILES notation for 2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol?
The canonical SMILES for 2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol is CC(O)(C#CCN1CCCCC1)C1CC1.
What is the InChIKey of 2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol?
The InChIKey is ZNWJLKMETLCBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21NO/c1-13(15,12-6-7-12)8-5-11-14-9-3-2-4-10-14/h12,15H,2-4,6-7,9-11H2,1H3.
What are the key properties of 2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol?
2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol has a molecular weight of 207.32 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-5-piperidin-1-ylpent-3-yn-2-ol is sourced from PubChem (CID 578823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).